SCHEMBL16613345

SCHEMBL16613345

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4cscc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ATM Q13315 3/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
LMNA P02545 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.34
PDE5A O76074 3/20 0.33
ACP1 P24666 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GBA1 P04062 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16613344 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613422 0.89 MAPT (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613252 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL12014855 0.86 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613240 0.85 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613253 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613232 0.84 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613352 0.81 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL29694525 0.80 L3MBTL1 (0.48) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL8819021 0.80 L3MBTL1 (0.48) KDM4EALDH1A1HPGDMAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed